MassBank Record: WA002994



 Cefuroxime; LC-ESI-Q; MS; NEG; 60 V, 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002994
RECORD_TITLE: Cefuroxime; LC-ESI-Q; MS; NEG; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Cefuroxime CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H16N4O8S CH$EXACT_MASS: 424.06888 CH$SMILES: CON=C(c(c3)occ3)C(=O)NC(C(=O)1)C([H])(S2)N(C(C(O)=O)=C(COC(N)=O)C2)1 CH$IUPAC: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1 CH$LINK: CAS 55268-75-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.420 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0981100000-05f4b050fdb3869b8bd1 PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 100 31 31 101 12 12 102 12 12 103 12 12 104 153 153 105 110 110 106 24 24 107 8 8 108 31 31 109 125 125 110 71 71 111 12 12 112 12 12 114 12 12 115 51 51 116 255 255 117 39 39 118 20 20 119 51 51 120 20 20 121 27 27 122 47 47 123 35 35 124 31 31 128 16 16 131 43 43 132 47 47 133 39 39 134 12 12 135 24 24 138 51 51 140 35 35 141 16 16 142 12 12 143 8 8 147 24 24 148 35 35 149 27 27 150 59 59 151 16 16 152 8 8 153 20 20 155 8 8 156 8 8 157 8 8 159 12 12 160 27 27 161 20 20 162 47 47 163 59 59 164 24 24 165 74 74 166 27 27 167 24 24 168 16 16 169 16 16 175 16 16 176 94 94 177 47 47 178 20 20 179 8 8 180 12 12 181 20 20 182 8 8 183 16 16 184 8 8 185 8 8 188 20 20 191 16 16 192 12 12 193 55 55 194 43 43 195 16 16 198 8 8 199 31 31 201 31 31 202 8 8 203 43 43 204 16 16 207 999 999 208 125 125 209 63 63 211 20 20 212 8 8 214 16 16 215 20 20 217 8 8 220 16 16 222 8 8 225 55 55 227 20 20 228 12 12 230 8 8 232 63 63 233 12 12 234 78 78 235 20 20 239 8 8 244 8 8 246 8 8 248 8 8 251 12 12 252 12 12 253 63 63 254 20 20 256 8 8 257 12 12 260 12 12 263 8 8 272 16 16 274 27 27 284 290 290 285 31 31 286 12 12 290 27 27 293 27 27 302 12 12 315 8 8 318 145 145 319 8 8 320 12 12 321 8 8 330 8 8 336 59 59 338 8 8 358 8 8 362 39 39 379 16 16 380 16 16 384 43 43 386 16 16 400 12 12 401 16 16 402 31 31 403 12 12 412 16 16 418 8 8 419 8 8 423 223 223 424 55 55 429 8 8 446 8 8 449 8 8 //